chempirical

4-Methyl-1,3-oxazole-5-carboxylic acid

C5H5NO3CAS 2510-32-9127.10 g/mol

Open in Covalent MOL file
ONOOH
Carboxylic acid

Properties

Molecular formula
C5H5NO3
Molar mass
127.10 g/mol
Exact mass
127.0269 Da
logP
0.68Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2510-32-9
SMILES
CC1=C(OC=N1)C(=O)O
InChIKey
ZIXUNDOOBLSXPE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO3/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Methyl-1,3-oxazole-5-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-850 % similar 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-450 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-548 % similar 3-Methylfuran-2-carboxylic acid4412-96-847 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-046 % similar 2-Methylnicotinic acid3222-56-844 % similar 2,4-Dimethyl-3-pyridinecarboxylic acid55314-30-243 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methyl-1,2-oxazole-4-carboxylic acid17153-20-7 5-Methyl-3-isoxazolecarboxylic acid3405-77-4 5-Methylisoxazole-4-carboxylic acid42831-50-5 3-Methyl-5-isoxazolecarboxylic acid4857-42-5

Elsewhere

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